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6-amino-4-{4-[(2-chloro-4-fluorophenoxy)methyl]-5-methyl-2-thienyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

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6-amino-4-{4-[(2-chloro-4-fluorophenoxy)methyl]-5-methyl-2-thienyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SpectraBase Compound ID JeZUcF0sC9F
InChI InChI=1S/C20H16ClFN4O2S/c1-9-17-18(13(7-23)19(24)28-20(17)26-25-9)16-5-11(10(2)29-16)8-27-15-4-3-12(22)6-14(15)21/h3-6,18H,8,24H2,1-2H3,(H,25,26)
InChIKey ATRVBSPDYMHUDN-UHFFFAOYSA-N
Mol Weight 430.89 g/mol
Molecular Formula C20H16ClFN4O2S
Exact Mass 430.066653 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Fuy3H2oiGTC
Name 6-amino-4-{4-[(2-chloro-4-fluorophenoxy)methyl]-5-methyl-2-thienyl}-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H16ClFN4O2S/c1-9-17-18(13(7-23)19(24)28-20(17)26-25-9)16-5-11(10(2)29-16)8-27-15-4-3-12(22)6-14(15)21/h3-6,18H,8,24H2,1-2H3,(H,25,26)
InChIKey ATRVBSPDYMHUDN-UHFFFAOYSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_14423
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/1016147; UBI_ID: UBI-014426
Temperature 300 °C